CID 12217744

23033-65-0

Structural Information

Molecular Formula
C13H16O
SMILES
C1CCC(C1)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H16O/c14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,8-9,11H,4-7,10H2
InChIKey
SNPILNPIIQCQFR-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

188.12012 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.127396 143.6
[M+Na]+ 211.109338 148.5
[M-H]- 187.112844 149.5
[M+NH4]+ 206.153943 164.4
[M+K]+ 227.083278 145.8
[M+H-H2O]+ 171.117380 137.0
[M+HCOO]- 233.118321 165.6
[M+CH3COO]- 247.133971 181.7
[M+Na-2H]- 209.094786 146.3
[M]+ 188.11957142 140.3
[M]- 188.12066858 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe